2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide

C15H17F3N2O3 — CID 110901563

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-2-3-10(8-12(9)15(16,17)18)19-13(22)14(23)20-6-4-11(21)5-7-20/h2-3,8,11,21H,4-7H2,1H3,(H,19,22)
InChIKeyXPFQKGJFDAWZMZ-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.94
Rot. Bonds1

About 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide

2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide (PubChem CID 110901563) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
PubChem CID110901563
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-2-3-10(8-12(9)15(16,17)18)19-13(22)14(23)20-6-4-11(21)5-7-20/h2-3,8,11,21H,4-7H2,1H3,(H,19,22)
InChIKeyXPFQKGJFDAWZMZ-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119036533
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901727
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
2-(4-hydroxypiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 18588520
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567096

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide (CID 110901563) is 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
The InChIKey is XPFQKGJFDAWZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9-2-3-10(8-12(9)15(16,17)18)19-13(22)14(23)20-6-4-11(21)5-7-20/h2-3,8,11,21H,4-7H2,1H3,(H,19,22).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide has a molecular weight of 330.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 110901563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).